Re: [Rdkit-discuss] RDKit installation problem

2020-08-02 Thread Lukas Pravda
Hi Sebastian, Quickly looking at the available builds in the rdkit conda channel (https://anaconda.org/rdkit/rdkit) it appears that you are pulling windows 32-bit version of rdkit. Perhaps this is caused by the fact that you use 32bit version of conda? Try installing 64-bit version of conda

[Rdkit-discuss] Alignment of alkane chains

2020-08-02 Thread Patel, Lara Anne via Rdkit-discuss
Dear Rdkit Community, I am currently trying to figure out how to get two alkane chains of the exact same length to align a top one another. Hypothetically, it should be possible to consistently get the molecules to align onto one another each time. Thus far my code seems to be giving me a

Re: [Rdkit-discuss] RDKit installation problem

2020-08-02 Thread Francois Berenger
Dear Sebastian, Since last week, you should also be able to install rdkit on Linux via linuxbrew: --- sudo apt install linuxbrew-wrapper brew tap rdkit/rdkit brew update brew install rdkit # to test it /home/linuxbrew/.linuxbrew/bin/python3 import rdkit --- Thanks to Nuri Jung on github